CID 112171

5-[4-(diethylamino)-2-ethoxyphenyl]-5-(1-ethyl-2-methyl-1h-indol-3-yl)furo[3,4-b]pyridin-7(5h)-one

Structural Information

Molecular Formula
C30H33N3O3
SMILES
CCN1C(=C(C2=CC=CC=C21)C3(C4=C(C(=O)O3)N=CC=C4)C5=C(C=C(C=C5)N(CC)CC)OCC)C
InChI
InChI=1S/C30H33N3O3/c1-6-32(7-2)21-16-17-23(26(19-21)35-9-4)30(24-14-12-18-31-28(24)29(34)36-30)27-20(5)33(8-3)25-15-11-10-13-22(25)27/h10-19H,6-9H2,1-5H3
InChIKey
OIIAWEYLHHHZJC-UHFFFAOYSA-N
Compound name
5-[4-(diethylamino)-2-ethoxyphenyl]-5-(1-ethyl-2-methylindol-3-yl)furo[3,4-b]pyridin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

617
Patents

483.2522 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 484.25948 222.8
[M+Na]+ 506.24142 232.1
[M-H]- 482.24492 234.8
[M+NH4]+ 501.28602 234.4
[M+K]+ 522.21536 227.2
[M+H-H2O]+ 466.24946 212.2
[M+HCOO]- 528.25040 242.2
[M+CH3COO]- 542.26605 232.2
[M+Na-2H]- 504.22687 220.7
[M]+ 483.25165 232.1
[M]- 483.25275 232.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe